BDBM86815 CAS_45266019::NSC_45266019::rac-2-(6-fluoro-5-(4-fluorophenyl)pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane hydrochloride

SMILES: Fc1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2

InChI Key: InChIKey=FSSDAFCFDRVHKW-UHFFFAOYSA-N

Data: 7 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 86815   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM86815 (CAS_45266019 | NSC_45266019 | rac-2-(6-fluoro-5-(4...) Show SMILES Fc1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |TLB:9:14:17.18:20| Show InChI InChI=1S/C17H16F2N2/c18-12-3-1-10(2-4-12)15-7-11(9-20-17(15)19)14-8-13-5-6-16(14)21-13/h1-4,7,9,13-14,16,21H,5-6,8H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by PDSP Ki Database									Bioorg Med Chem 16: 746-54 (2008) Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM86815 (CAS_45266019 | NSC_45266019 | rac-2-(6-fluoro-5-(4...) Show SMILES Fc1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |TLB:9:14:17.18:20| Show InChI InChI=1S/C17H16F2N2/c18-12-3-1-10(2-4-12)15-7-11(9-20-17(15)19)14-8-13-5-6-16(14)21-13/h1-4,7,9,13-14,16,21H,5-6,8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 using 0.5 nM [3H]epibatidine				Bioorg Med Chem Lett 15: 4385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.039 BindingDB Entry DOI: 10.7270/Q2H41V62
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-2/beta-2 subunit (Rattus norvegicus (Rat))	BDBM86815 (CAS_45266019 | NSC_45266019 | rac-2-(6-fluoro-5-(4...) Show SMILES Fc1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |TLB:9:14:17.18:20| Show InChI InChI=1S/C17H16F2N2/c18-12-3-1-10(2-4-12)15-7-11(9-20-17(15)19)14-8-13-5-6-16(14)21-13/h1-4,7,9,13-14,16,21H,5-6,8H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine				Bioorg Med Chem Lett 15: 4385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.039 BindingDB Entry DOI: 10.7270/Q2H41V62
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-2 (Rattus norvegicus (Rat))	BDBM86815 (CAS_45266019 | NSC_45266019 | rac-2-(6-fluoro-5-(4...) Show SMILES Fc1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |TLB:9:14:17.18:20| Show InChI InChI=1S/C17H16F2N2/c18-12-3-1-10(2-4-12)15-7-11(9-20-17(15)19)14-8-13-5-6-16(14)21-13/h1-4,7,9,13-14,16,21H,5-6,8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.504	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta2 using 0.5 nM [3H]epibatidine				Bioorg Med Chem Lett 15: 4385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.039 BindingDB Entry DOI: 10.7270/Q2H41V62
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-2/Beta-4 (Rattus norvegicus (Rat))	BDBM86815 (CAS_45266019 | NSC_45266019 | rac-2-(6-fluoro-5-(4...) Show SMILES Fc1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |TLB:9:14:17.18:20| Show InChI InChI=1S/C17H16F2N2/c18-12-3-1-10(2-4-12)15-7-11(9-20-17(15)19)14-8-13-5-6-16(14)21-13/h1-4,7,9,13-14,16,21H,5-6,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta4 using 0.5 nM [3H]epibatidine				Bioorg Med Chem Lett 15: 4385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.039 BindingDB Entry DOI: 10.7270/Q2H41V62
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit (Rattus norvegicus (Rat))	BDBM86815 (CAS_45266019 | NSC_45266019 | rac-2-(6-fluoro-5-(4...) Show SMILES Fc1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |TLB:9:14:17.18:20| Show InChI InChI=1S/C17H16F2N2/c18-12-3-1-10(2-4-12)15-7-11(9-20-17(15)19)14-8-13-5-6-16(14)21-13/h1-4,7,9,13-14,16,21H,5-6,8H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta4 using 0.5 nM [3H]epibatidine				Bioorg Med Chem Lett 15: 4385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.039 BindingDB Entry DOI: 10.7270/Q2H41V62
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat))	BDBM86815 (CAS_45266019 | NSC_45266019 | rac-2-(6-fluoro-5-(4...) Show SMILES Fc1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |TLB:9:14:17.18:20| Show InChI InChI=1S/C17H16F2N2/c18-12-3-1-10(2-4-12)15-7-11(9-20-17(15)19)14-8-13-5-6-16(14)21-13/h1-4,7,9,13-14,16,21H,5-6,8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	405	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta4 using 0.5 nM [3H]epibatidine				Bioorg Med Chem Lett 15: 4385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.039 BindingDB Entry DOI: 10.7270/Q2H41V62
					More data for this Ligand-Target Pair